#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cic s ILE 2 N 0.00 4.97 0.04 0.53 1.01 -1.26 -4.99 121.20 121.49 1cic s ILE 2 Ca 0.00 0.05 -0.14 0.00 0.00 0.00 0.00 60.65 60.56 1cic s ILE 2 Cb 0.00 -3.32 -0.06 0.00 0.01 0.00 0.00 42.46 39.09 1cic s ILE 2 CO 0.00 0.34 0.43 -1.10 0.00 0.00 0.00 174.94 174.60 1cic s GLN 3 N 1.29 3.90 -0.16 2.79 1.11 -1.26 -4.65 119.66 122.68 1cic s GLN 3 Ca 0.06 0.38 -0.04 0.00 0.01 0.00 0.00 55.36 55.77 1cic s GLN 3 Cb -0.14 -3.14 -0.03 0.00 -1.01 0.00 0.00 33.01 28.68 1cic s GLN 3 CO 0.05 0.64 -0.03 -1.64 0.01 0.00 0.00 175.29 174.33 1cic s MET 4 N -1.35 3.69 -0.26 2.91 -1.94 -1.26 -0.70 119.30 120.40 1cic s MET 4 Ca 0.27 -0.51 0.00 0.00 -1.71 0.00 0.00 55.69 53.75 1cic s MET 4 Cb -0.16 -2.94 0.04 0.00 2.01 0.00 0.00 34.83 33.78 1cic s MET 4 CO 0.15 0.24 -0.08 0.99 -0.01 0.00 0.00 175.02 176.30 1cic s THR 5 N 0.38 2.52 -0.02 2.05 2.01 0.68 -4.50 115.64 118.76 1cic s THR 5 Ca -0.03 -1.34 -0.03 0.00 0.31 0.00 0.00 61.69 60.60 1cic s THR 5 Cb -0.14 -2.37 -0.04 0.00 0.01 0.00 0.00 72.50 69.96 1cic s THR 5 CO 0.03 0.08 0.18 -1.58 -0.69 0.00 0.00 174.62 172.64 1cic s GLN 6 N 1.22 3.44 -0.09 4.92 0.74 -1.26 -1.17 119.66 127.45 1cic s GLN 6 Ca -0.04 -0.31 -0.18 0.00 0.05 0.00 0.00 55.36 54.89 1cic s GLN 6 Cb -0.18 -3.10 0.04 0.00 1.10 0.00 0.00 33.01 30.86 1cic s GLN 6 CO -0.05 0.68 0.43 0.45 -0.55 0.00 0.00 175.29 176.25 1cic s SER 7 N -1.86 -0.38 0.69 6.67 0.15 -0.86 -4.70 113.70 113.41 1cic s SER 7 Ca 0.26 0.54 -0.07 0.00 0.70 0.00 0.00 55.95 57.38 1cic s SER 7 Cb -0.13 0.61 0.05 0.00 -1.71 0.00 0.00 66.02 64.84 1cic s SER 7 CO 0.17 -0.34 1.01 -2.16 1.20 0.00 0.00 173.24 173.12 1cic s PRO 8 N -0.62 2.35 0.25 5.44 0.04 -1.26 -1.50 135.00 139.69 1cic s PRO 8 Ca -0.07 -0.15 0.00 0.00 0.04 0.00 0.00 61.00 60.83 1cic s PRO 8 Cb -0.03 -2.17 0.31 0.00 0.04 0.00 0.00 34.50 32.65 1cic s PRO 8 CO 0.04 -1.15 1.66 0.00 0.04 0.00 0.00 177.00 177.58 1cic h ALA 9 N -0.56 0.98 -2.39 8.56 0.00 -1.84 -3.41 119.26 120.61 1cic h ALA 9 Ca -0.45 -0.39 -0.12 0.00 0.00 0.00 0.00 54.91 53.95 1cic h ALA 9 Cb 1.30 -0.12 -0.16 0.00 0.00 0.00 0.00 17.79 18.81 1cic h ALA 9 CO 0.61 0.60 -0.63 -1.12 0.00 0.00 0.00 179.25 178.71 1cic s SER 10 N -6.82 0.39 -0.07 0.00 0.01 -1.26 -0.72 113.70 105.22 1cic s SER 10 Ca -0.07 -0.85 -0.10 0.00 1.31 0.00 0.00 55.95 56.23 1cic s SER 10 Cb 0.13 0.21 0.02 0.00 0.21 0.00 0.00 66.02 66.59 1cic s SER 10 CO 0.81 -0.57 0.27 -0.76 0.41 0.00 0.00 173.24 173.40 1cic s LEU 11 N -2.66 1.00 -0.10 2.44 2.01 0.14 -4.90 118.68 116.61 1cic s LEU 11 Ca 0.03 0.37 0.03 0.00 0.01 0.00 0.00 54.13 54.57 1cic s LEU 11 Cb 0.05 0.98 0.01 0.00 0.01 0.00 0.00 46.19 47.24 1cic s LEU 11 CO -0.08 -0.20 -0.20 -0.55 1.01 0.00 0.00 176.35 176.33 1cic s SER 12 N -0.34 2.67 0.00 2.29 0.15 -1.26 0.02 113.70 117.23 1cic s SER 12 Ca -0.05 -0.48 -0.19 0.00 0.70 0.00 0.00 55.95 55.93 1cic s SER 12 Cb -0.03 -1.22 0.04 0.00 -1.71 0.00 0.00 66.02 63.09 1cic s SER 12 CO 0.01 0.10 0.42 0.00 1.20 0.00 0.00 173.24 174.97 1cic s ALA 13 N 0.55 -1.06 0.31 5.45 0.00 -0.48 -4.91 121.76 121.63 1cic s ALA 13 Ca -0.15 0.51 -0.06 0.00 0.00 0.00 0.00 51.96 52.26 1cic s ALA 13 Cb -0.17 0.16 -0.06 0.00 0.00 0.00 0.00 23.12 23.06 1cic s ALA 13 CO 0.05 -0.35 0.60 -1.12 0.00 0.00 0.00 175.76 174.94 1cic s SER 14 N -1.55 6.47 0.20 0.00 0.01 -1.26 -0.68 113.70 116.88 1cic s SER 14 Ca -0.10 0.82 -0.32 0.00 1.31 0.00 0.00 55.95 57.65 1cic s SER 14 Cb -0.03 -2.19 -0.15 0.00 0.21 0.00 0.00 66.02 63.87 1cic s SER 14 CO 0.03 -0.24 1.30 0.52 0.41 0.00 0.00 173.24 175.26 1cic n VAL 15 N -0.99 0.83 0.00 3.43 0.31 -1.26 -1.59 118.33 119.07 1cic n VAL 15 Ca -0.01 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 1cic n VAL 15 Cb 0.54 -1.15 0.00 0.00 -0.91 0.00 0.00 33.84 32.32 1cic n VAL 15 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1cic n GLY 16 N 2.17 1.70 3.82 2.92 0.00 -0.58 -4.89 105.19 110.34 1cic n GLY 16 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1cic n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cic s GLU 17 N -0.95 1.26 -0.13 1.61 2.02 -0.62 -3.84 118.70 118.05 1cic s GLU 17 Ca 0.00 0.17 0.01 0.00 0.02 0.00 0.00 54.97 55.18 1cic s GLU 17 Cb 0.00 -1.86 -0.00 0.00 0.10 0.00 0.00 34.13 32.36 1cic s GLU 17 CO 0.00 -2.09 -0.17 0.99 0.02 0.00 0.00 175.26 174.00 1cic s THR 18 N -3.40 2.58 -0.05 3.63 2.01 -1.25 -0.03 115.64 119.12 1cic s THR 18 Ca 0.64 -0.82 0.06 0.00 0.31 0.00 0.00 61.69 61.89 1cic s THR 18 Cb -0.13 -2.06 -0.01 0.00 0.01 0.00 0.00 72.50 70.31 1cic s THR 18 CO 0.52 0.53 -0.25 -0.69 -0.69 0.00 0.00 174.62 174.04 1cic s VAL 19 N 0.53 2.04 -0.20 3.82 1.01 -0.47 -4.96 120.40 122.16 1cic s VAL 19 Ca -0.11 -1.07 0.00 0.00 0.00 0.00 0.00 61.98 60.81 1cic s VAL 19 Cb -0.16 -1.72 0.02 0.00 0.00 0.00 0.00 36.38 34.52 1cic s VAL 19 CO 0.04 0.57 -0.16 -0.89 0.00 0.00 0.00 175.10 174.66 1cic s THR 20 N -0.24 2.33 -0.06 3.92 2.01 -1.26 -1.04 115.64 121.29 1cic s THR 20 Ca -0.01 -0.92 0.03 0.00 0.31 0.00 0.00 61.69 61.10 1cic s THR 20 Cb -0.13 -2.03 -0.03 0.00 0.01 0.00 0.00 72.50 70.32 1cic s THR 20 CO 0.03 0.47 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.67 1cic s ILE 21 N 1.31 3.20 0.14 1.82 1.01 -0.08 -4.69 121.20 123.92 1cic s ILE 21 Ca 0.04 -0.66 0.09 0.00 0.00 0.00 0.00 60.65 60.12 1cic s ILE 21 Cb -0.14 -2.28 -0.04 0.00 0.01 0.00 0.00 42.46 40.01 1cic s ILE 21 CO -0.10 0.58 -0.17 -0.89 0.00 0.00 0.00 174.94 174.36 1cic s THR 22 N -0.60 2.85 -0.07 2.92 2.01 -0.57 -1.45 115.64 120.73 1cic s THR 22 Ca 0.09 -1.61 -0.03 0.00 0.31 0.00 0.00 61.69 60.45 1cic s THR 22 Cb -0.11 -2.34 0.04 0.00 0.01 0.00 0.00 72.50 70.10 1cic s THR 22 CO 0.01 0.02 0.13 0.00 -0.69 0.00 0.00 174.62 174.10 1cic s ARG 24 N 1.89 2.67 0.05 0.00 0.52 -0.32 -1.21 118.95 122.56 1cic s ARG 24 Ca -0.01 -0.72 0.01 0.00 -0.52 0.00 0.00 55.73 54.49 1cic s ARG 24 Cb -0.12 -2.40 -0.04 0.00 0.52 0.00 0.00 34.95 32.91 1cic s ARG 24 CO -0.05 0.52 0.13 0.00 0.02 0.00 0.00 175.30 175.91 1cic s ALA 25 N -0.45 3.74 -2.00 2.13 0.00 0.71 -0.23 121.76 125.66 1cic s ALA 25 Ca 0.06 -0.92 0.30 0.00 0.00 0.00 0.00 51.96 51.39 1cic s ALA 25 Cb -0.12 -1.61 1.79 0.00 0.00 0.00 0.00 23.12 23.18 1cic s ALA 25 CO 0.02 0.77 2.14 -1.13 0.00 0.00 0.00 175.76 177.55 1cic n SER 26 N 0.55 0.00 -3.58 0.00 3.41 0.13 -4.76 113.62 109.37 1cic n SER 26 Ca -0.08 -1.01 -0.11 0.00 -0.26 0.00 0.00 58.87 57.40 1cic n SER 26 Cb 0.52 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.43 1cic n SER 26 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1cic s GLY 27 N -1.96 -0.37 0.30 5.00 0.00 -1.26 -4.94 107.32 104.09 1cic s GLY 27 Ca 0.45 0.17 -0.30 0.00 0.00 0.00 0.00 44.72 45.04 1cic s GLY 27 CO 0.35 -0.11 1.59 -2.01 0.00 0.00 0.00 173.10 172.92 1cic n ASN 28 N -0.16 3.86 -0.33 1.64 2.85 -1.26 -4.57 115.26 117.30 1cic n ASN 28 Ca -0.17 1.15 0.04 0.00 -0.11 0.00 0.00 54.58 55.50 1cic n ASN 28 Cb 0.63 -1.60 0.10 0.00 1.24 0.00 0.00 39.78 40.16 1cic n ASN 28 CO 0.00 0.00 0.00 2.30 -2.11 0.00 0.00 177.26 177.45 1cic n ILE 29 N 2.02 1.25 -4.21 -1.44 -5.35 -0.87 -4.98 119.36 105.78 1cic n ILE 29 Ca 0.08 -1.25 -0.30 0.00 -0.27 0.00 0.00 62.75 61.01 1cic n ILE 29 Cb 0.37 0.33 -0.07 0.00 -1.74 0.00 0.00 39.64 38.52 1cic n ILE 29 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1cic n HIS 30 N -0.26 -1.38 -0.89 4.28 8.25 -1.26 -1.21 115.22 122.75 1cic n HIS 30 Ca 0.08 0.66 0.00 0.00 -0.26 0.00 0.00 57.72 58.20 1cic n HIS 30 Cb 0.43 -3.07 0.00 0.00 1.12 0.00 0.00 29.99 28.47 1cic n HIS 30 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1cic n ASN 31 N -2.90 -2.13 -4.30 0.41 4.13 -1.26 -4.94 115.26 104.27 1cic n ASN 31 Ca -0.31 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.52 1cic n ASN 31 Cb 0.69 -1.46 0.00 0.00 -1.54 0.00 0.00 39.78 37.47 1cic n ASN 31 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1cic n TYR 32 N -2.27 4.32 -4.10 3.10 4.01 -0.35 -2.43 117.16 119.44 1cic n TYR 32 Ca 0.00 -3.03 -0.15 0.00 -0.16 0.00 0.00 57.90 54.56 1cic n TYR 32 Cb 0.11 -2.36 -0.14 0.00 -0.31 0.00 0.00 39.34 36.64 1cic n TYR 32 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1cic s LEU 33 N 2.30 2.04 0.15 7.72 2.96 -1.26 -1.62 118.68 130.97 1cic s LEU 33 Ca 0.47 -0.14 0.06 0.00 -0.22 0.00 0.00 54.13 54.31 1cic s LEU 33 Cb 0.04 -0.20 -0.04 0.00 0.50 0.00 0.00 46.19 46.49 1cic s LEU 33 CO 0.02 0.02 -0.14 0.00 -1.32 0.00 0.00 176.35 174.92 1cic s ALA 34 N -0.26 1.66 -0.04 5.97 0.00 0.48 -2.08 121.76 127.48 1cic s ALA 34 Ca -0.00 -1.42 0.04 0.00 0.00 0.00 0.00 51.96 50.58 1cic s ALA 34 Cb -0.03 -0.08 -0.00 0.00 0.00 0.00 0.00 23.12 23.02 1cic s ALA 34 CO -0.00 0.08 -0.17 -1.58 0.00 0.00 0.00 175.76 174.09 1cic s TRP 35 N -2.47 1.71 0.03 0.00 0.52 -0.19 -1.29 118.94 117.26 1cic s TRP 35 Ca 0.14 -0.50 0.08 0.00 0.02 0.00 0.00 56.10 55.84 1cic s TRP 35 Cb -0.03 -1.15 -0.02 0.00 -1.15 0.00 0.00 33.47 31.11 1cic s TRP 35 CO 0.04 -0.17 -0.23 0.71 0.02 0.00 0.00 176.95 177.31 1cic s TYR 36 N 0.07 2.04 -0.06 -1.98 2.02 0.96 -0.20 117.35 120.19 1cic s TYR 36 Ca -0.04 -0.39 -0.00 0.00 -0.37 0.00 0.00 57.07 56.26 1cic s TYR 36 Cb -0.12 -1.24 -0.03 0.00 -0.40 0.00 0.00 41.96 40.17 1cic s TYR 36 CO 0.02 0.08 -0.02 -1.14 -1.57 0.00 0.00 175.55 172.92 1cic s GLN 37 N -1.07 2.86 -0.14 -0.62 0.74 0.16 -1.27 119.66 120.33 1cic s GLN 37 Ca 0.09 -0.49 -0.01 0.00 0.05 0.00 0.00 55.36 55.00 1cic s GLN 37 Cb -0.09 -2.70 0.03 0.00 1.10 0.00 0.00 33.01 31.35 1cic s GLN 37 CO 0.01 0.68 -0.06 -1.14 -0.55 0.00 0.00 175.29 174.23 1cic s GLN 38 N -0.98 1.38 0.09 1.67 0.74 0.86 -0.43 119.66 122.99 1cic s GLN 38 Ca 0.14 -0.34 -0.08 0.00 0.05 0.00 0.00 55.36 55.13 1cic s GLN 38 Cb -0.11 -1.74 -0.06 0.00 1.10 0.00 0.00 33.01 32.21 1cic s GLN 38 CO 0.03 -0.35 0.38 0.15 -0.55 0.00 0.00 175.29 174.95 1cic s LYS 39 N 1.70 3.70 -0.20 1.67 1.02 -1.26 -1.77 119.74 124.60 1cic s LYS 39 Ca 0.03 0.07 -0.07 0.00 0.02 0.00 0.00 55.97 56.02 1cic s LYS 39 Cb -0.14 -2.97 -0.05 0.00 -0.52 0.00 0.00 37.83 34.16 1cic s LYS 39 CO -0.08 0.55 0.57 0.94 -0.92 0.00 0.00 175.35 176.41 1cic n GLN 40 N 0.73 0.00 -4.04 1.68 -0.06 -1.26 -0.97 117.38 113.46 1cic n GLN 40 Ca -0.07 0.00 -0.32 0.00 -2.00 0.00 0.00 57.00 54.61 1cic n GLN 40 Cb 0.52 -0.33 0.00 0.00 -4.06 0.00 0.00 30.24 26.37 1cic n GLN 40 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1cic n GLY 41 N 1.47 -0.45 3.50 1.69 0.00 -1.26 -4.99 105.19 105.15 1cic n GLY 41 Ca 0.14 0.17 -0.24 0.00 0.00 0.00 0.00 46.02 46.08 1cic n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cic s LYS 42 N -6.73 1.75 0.40 1.61 1.02 -0.14 -5.11 119.74 112.54 1cic s LYS 42 Ca 0.64 -1.79 -0.27 0.00 0.02 0.00 0.00 55.97 54.57 1cic s LYS 42 Cb -0.33 -1.78 -0.09 0.00 -0.52 0.00 0.00 37.83 35.11 1cic s LYS 42 CO 0.87 0.28 1.34 -1.12 -0.92 0.00 0.00 175.35 175.80 1cic s SER 43 N -3.55 6.33 0.64 2.83 0.01 -1.26 -4.57 113.70 114.13 1cic s SER 43 Ca 0.31 2.73 -0.18 0.00 1.31 0.00 0.00 55.95 60.12 1cic s SER 43 Cb -0.03 -2.64 -0.02 0.00 0.21 0.00 0.00 66.02 63.53 1cic s SER 43 CO 0.16 -0.85 1.17 -2.65 0.41 0.00 0.00 173.24 171.48 1cic n PRO 44 N 0.22 1.01 -5.03 12.44 -0.02 -1.26 -4.70 135.00 137.65 1cic n PRO 44 Ca 0.03 0.40 -0.32 0.00 -2.02 0.00 0.00 63.50 61.58 1cic n PRO 44 Cb 0.43 -2.40 -0.16 0.00 -0.02 0.00 0.00 33.50 31.34 1cic n PRO 44 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1cic s GLN 45 N -3.17 3.10 0.14 -0.52 -0.44 0.43 -4.94 119.66 114.26 1cic s GLN 45 Ca 0.80 -0.84 -0.31 0.00 -2.50 0.00 0.00 55.36 52.51 1cic s GLN 45 Cb -0.39 -2.38 -0.09 0.00 -1.64 0.00 0.00 33.01 28.51 1cic s GLN 45 CO 0.43 0.14 1.46 -1.17 0.50 0.00 0.00 175.29 176.65 1cic s LEU 46 N 0.45 4.37 -0.05 3.68 2.96 -1.26 0.36 118.68 129.18 1cic s LEU 46 Ca -0.15 2.46 -0.06 0.00 -0.22 0.00 0.00 54.13 56.15 1cic s LEU 46 Cb -0.17 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 42.91 1cic s LEU 46 CO 0.06 -0.72 -0.12 0.18 -1.32 0.00 0.00 176.35 174.43 1cic n LEU 47 N 3.87 0.81 -4.28 -0.68 4.77 0.72 -4.78 117.00 117.44 1cic n LEU 47 Ca 0.12 0.13 -0.29 0.00 -0.03 0.00 0.00 56.01 55.94 1cic n LEU 47 Cb 0.41 -0.50 -0.16 0.00 -2.33 0.00 0.00 43.42 40.84 1cic n LEU 47 CO 0.60 -0.45 -0.55 -0.69 -1.33 0.00 0.00 177.39 174.96 1cic s VAL 48 N -1.78 1.91 0.24 4.08 1.01 -1.15 -0.56 120.40 124.14 1cic s VAL 48 Ca -0.10 -1.07 0.03 0.00 0.00 0.00 0.00 61.98 60.84 1cic s VAL 48 Cb 0.01 -1.59 -0.05 0.00 0.00 0.00 0.00 36.38 34.75 1cic s VAL 48 CO 0.15 0.50 0.00 -0.72 0.00 0.00 0.00 175.10 175.03 1cic s TYR 49 N -0.60 1.58 -1.50 5.22 1.13 0.19 -1.02 117.35 122.34 1cic s TYR 49 Ca 0.09 -0.94 -0.01 0.00 -1.41 0.00 0.00 57.07 54.80 1cic s TYR 49 Cb -0.09 -0.92 0.01 0.00 -1.10 0.00 0.00 41.96 39.86 1cic s TYR 49 CO -0.00 -0.05 0.21 0.66 -2.51 0.00 0.00 175.55 173.86 1cic n TYR 50 N -0.43 -1.43 0.00 -3.49 4.01 -0.94 -0.05 117.16 114.83 1cic n TYR 50 Ca -0.05 0.68 0.00 0.00 -0.16 0.00 0.00 57.90 58.37 1cic n TYR 50 Cb 0.64 -3.17 0.00 0.00 -0.31 0.00 0.00 39.34 36.50 1cic n TYR 50 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1cic n THR 51 N -4.49 0.00 0.25 -0.72 -1.04 -0.88 -4.06 114.28 103.34 1cic n THR 51 Ca -0.30 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 61.74 1cic n THR 51 Cb 0.68 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 69.21 1cic n THR 51 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1cic n THR 52 N 0.00 0.00 -3.45 12.58 -2.24 -1.13 -3.69 114.28 116.36 1cic n THR 52 Ca 0.00 -0.50 -0.39 0.00 -2.27 0.00 0.00 64.05 60.89 1cic n THR 52 Cb 0.00 1.12 -0.10 0.00 -2.10 0.00 0.00 70.33 69.25 1cic n THR 52 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1cic s THR 53 N -0.53 5.21 0.21 4.28 2.01 0.93 -4.68 115.64 123.08 1cic s THR 53 Ca 0.07 0.36 -0.30 0.00 0.31 0.00 0.00 61.69 62.13 1cic s THR 53 Cb 0.05 -3.68 -0.08 0.00 0.01 0.00 0.00 72.50 68.80 1cic s THR 53 CO 0.08 0.13 1.17 -0.22 -0.69 0.00 0.00 174.62 175.09 1cic s LEU 54 N 1.98 4.48 0.72 4.42 2.96 -1.26 0.58 118.68 132.54 1cic s LEU 54 Ca 0.12 2.25 -0.12 0.00 -0.22 0.00 0.00 54.13 56.17 1cic s LEU 54 Cb -0.16 -3.61 0.03 0.00 0.50 0.00 0.00 46.19 42.94 1cic s LEU 54 CO 0.11 -0.31 1.09 0.00 -1.32 0.00 0.00 176.35 175.91 1cic s ALA 55 N -0.39 2.43 0.35 5.97 0.00 0.28 -4.91 121.76 125.49 1cic s ALA 55 Ca 0.50 0.31 -0.28 0.00 0.00 0.00 0.00 51.96 52.49 1cic s ALA 55 Cb -0.33 -3.26 -0.12 0.00 0.00 0.00 0.00 23.12 19.42 1cic s ALA 55 CO 0.38 -1.47 1.41 -0.25 0.00 0.00 0.00 175.76 175.84 1cic n ASP 56 N -3.06 3.31 -0.70 0.00 8.00 -1.26 -2.52 116.55 120.32 1cic n ASP 56 Ca 0.09 1.21 -0.09 0.00 0.71 0.00 0.00 54.79 56.71 1cic n ASP 56 Cb 0.53 -1.55 -0.04 0.00 -0.02 0.00 0.00 41.12 40.04 1cic n ASP 56 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1cic n GLY 57 N 0.86 1.00 3.80 0.44 0.00 -1.26 -5.00 105.19 105.04 1cic n GLY 57 Ca 0.04 -0.22 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 1cic n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cic s VAL 58 N -2.08 5.28 0.46 1.61 1.01 -1.05 -5.05 120.40 120.58 1cic s VAL 58 Ca 0.00 0.53 -0.21 0.00 0.00 0.00 0.00 61.98 62.30 1cic s VAL 58 Cb 0.00 -3.58 -0.10 0.00 0.00 0.00 0.00 36.38 32.70 1cic s VAL 58 CO 0.00 0.51 0.99 -2.16 0.00 0.00 0.00 175.10 174.45 1cic s PRO 59 N -0.43 4.02 0.63 2.72 0.05 -1.26 -4.88 135.00 135.86 1cic s PRO 59 Ca 0.18 1.24 0.29 0.00 0.05 0.00 0.00 61.00 62.76 1cic s PRO 59 Cb -0.14 -2.14 1.56 0.00 0.05 0.00 0.00 34.50 33.83 1cic s PRO 59 CO 0.07 -0.22 1.92 0.66 0.05 0.00 0.00 177.00 179.47 1cic h SER 60 N 1.75 0.00 0.68 6.66 4.64 -1.99 -0.98 113.55 124.31 1cic h SER 60 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1cic h SER 60 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1cic h SER 60 CO 0.60 0.00 0.00 -2.11 -0.87 0.00 0.00 176.83 174.45 1cic n ARG 61 N -3.27 0.07 -3.01 4.77 1.85 -1.26 -4.55 116.66 111.26 1cic n ARG 61 Ca 0.02 0.27 -0.38 0.00 -1.00 0.00 0.00 57.85 56.76 1cic n ARG 61 Cb 0.49 -1.62 -0.06 0.00 -1.05 0.00 0.00 32.46 30.21 1cic n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1cic s PHE 62 N -3.10 3.80 -0.19 2.89 0.08 -0.37 -1.42 117.98 119.68 1cic s PHE 62 Ca 0.07 1.55 -0.05 0.00 0.12 0.00 0.00 56.93 58.63 1cic s PHE 62 Cb 0.11 -2.72 0.09 0.00 -0.57 0.00 0.00 43.02 39.93 1cic s PHE 62 CO 0.35 0.43 0.33 -1.12 -0.10 0.00 0.00 175.22 175.12 1cic s SER 63 N -1.35 0.26 0.14 1.36 0.01 -0.39 -4.99 113.70 108.74 1cic s SER 63 Ca 0.39 0.53 0.04 0.00 1.31 0.00 0.00 55.95 58.22 1cic s SER 63 Cb -0.20 0.96 -0.04 0.00 0.21 0.00 0.00 66.02 66.95 1cic s SER 63 CO 0.24 -0.26 0.18 -0.83 0.41 0.00 0.00 173.24 172.98 1cic s GLY 64 N 2.50 1.77 0.19 3.44 0.00 -1.26 -0.83 107.32 113.14 1cic s GLY 64 Ca 0.04 -1.11 -0.19 0.00 0.00 0.00 0.00 44.72 43.46 1cic s GLY 64 CO -0.12 -1.12 0.55 -1.35 0.00 0.00 0.00 173.10 171.07 1cic s SER 65 N -3.03 -0.32 0.00 1.64 1.04 -0.64 -4.45 113.70 107.94 1cic s SER 65 Ca 0.32 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.36 1cic s SER 65 Cb -0.11 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.61 1cic s SER 65 CO 0.25 -1.06 0.00 0.61 0.98 0.00 0.00 173.24 174.02 1cic n GLY 66 N -0.35 1.77 3.56 7.32 0.00 -1.26 0.83 105.19 117.05 1cic n GLY 66 Ca -0.11 -1.60 -0.08 0.00 0.00 0.00 0.00 46.02 44.23 1cic n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1cic s SER 67 N 0.00 -0.30 1.42 1.61 1.04 -0.78 -4.90 113.70 111.79 1cic s SER 67 Ca 0.00 0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.57 1cic s SER 67 Cb 0.00 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.40 1cic s SER 67 CO 0.00 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.42 1cic n GLY 68 N 0.17 2.96 0.15 7.32 0.00 -1.26 -2.55 105.19 111.98 1cic n GLY 68 Ca -0.07 -0.24 0.04 0.00 0.00 0.00 0.00 46.02 45.76 1cic n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1cic n THR 69 N 0.00 0.00 -3.78 2.61 -2.24 -1.26 -2.05 114.28 107.56 1cic n THR 69 Ca 0.00 -0.39 -0.36 0.00 -2.27 0.00 0.00 64.05 61.02 1cic n THR 69 Cb 0.00 1.08 -0.12 0.00 -2.10 0.00 0.00 70.33 69.19 1cic n THR 69 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1cic s GLN 70 N -1.32 3.67 0.10 -0.78 0.74 -1.06 -0.20 119.66 120.82 1cic s GLN 70 Ca 0.06 -0.47 0.01 0.00 0.05 0.00 0.00 55.36 55.02 1cic s GLN 70 Cb 0.07 -3.31 -0.04 0.00 1.10 0.00 0.00 33.01 30.82 1cic s GLN 70 CO 0.23 -0.16 -0.06 0.71 -0.55 0.00 0.00 175.29 175.47 1cic s TYR 71 N 1.52 0.89 0.10 1.67 1.51 -0.35 -1.87 117.35 120.83 1cic s TYR 71 Ca 0.06 -0.94 -0.08 0.00 -1.01 0.00 0.00 57.07 55.10 1cic s TYR 71 Cb -0.15 -0.52 -0.00 0.00 -0.11 0.00 0.00 41.96 41.18 1cic s TYR 71 CO 0.04 -0.18 0.20 -1.12 -1.11 0.00 0.00 175.55 173.38 1cic s SER 72 N -3.04 0.11 -0.08 2.29 0.01 0.24 -2.11 113.70 111.13 1cic s SER 72 Ca 0.13 -0.71 0.01 0.00 1.31 0.00 0.00 55.95 56.68 1cic s SER 72 Cb 0.06 0.36 0.02 0.00 0.21 0.00 0.00 66.02 66.66 1cic s SER 72 CO -0.04 -0.76 -0.07 -0.22 0.41 0.00 0.00 173.24 172.55 1cic s LEU 73 N -2.89 1.29 -0.04 2.44 2.96 -0.53 -1.63 118.68 120.29 1cic s LEU 73 Ca 0.08 -0.23 0.07 0.00 -0.22 0.00 0.00 54.13 53.82 1cic s LEU 73 Cb 0.05 -0.70 -0.02 0.00 0.50 0.00 0.00 46.19 46.02 1cic s LEU 73 CO -0.09 -0.07 -0.25 -0.54 -1.32 0.00 0.00 176.35 174.09 1cic s LYS 74 N 1.23 2.32 -0.35 1.98 1.02 -0.01 -0.90 119.74 125.04 1cic s LYS 74 Ca -0.05 -0.91 -0.07 0.00 0.02 0.00 0.00 55.97 54.96 1cic s LYS 74 Cb -0.14 -2.11 0.04 0.00 -0.52 0.00 0.00 37.83 35.11 1cic s LYS 74 CO -0.02 0.48 0.12 0.42 -0.92 0.00 0.00 175.35 175.43 1cic s ILE 75 N -0.41 3.85 -0.18 2.17 1.09 -0.21 -1.26 121.20 126.25 1cic s ILE 75 Ca 0.04 -1.15 -0.16 0.00 -1.10 0.00 0.00 60.65 58.28 1cic s ILE 75 Cb -0.12 -3.20 -0.04 0.00 -1.06 0.00 0.00 42.46 38.04 1cic s ILE 75 CO 0.01 -0.21 0.41 0.20 -0.10 0.00 0.00 174.94 175.25 1cic s ASN 76 N 1.47 6.49 -0.75 3.58 0.01 -0.51 -1.37 114.94 123.86 1cic s ASN 76 Ca -0.01 0.58 -0.02 0.00 -0.71 0.00 0.00 52.86 52.70 1cic s ASN 76 Cb -0.20 -2.24 -0.02 0.00 0.41 0.00 0.00 41.25 39.20 1cic s ASN 76 CO 0.03 -0.05 0.69 -1.20 -1.51 0.00 0.00 177.10 175.06 1cic n SER 77 N 4.23 -6.89 -4.52 -1.22 7.64 0.95 -4.75 113.62 109.06 1cic n SER 77 Ca -0.08 -0.24 -0.43 0.00 1.01 0.00 0.00 58.87 59.13 1cic n SER 77 Cb 0.51 -4.83 0.00 0.00 -1.01 0.00 0.00 64.21 58.88 1cic n SER 77 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1cic n LEU 78 N -2.10 1.01 -4.38 -3.43 4.77 0.34 -4.56 117.00 108.66 1cic n LEU 78 Ca -0.02 1.02 -0.28 0.00 -0.03 0.00 0.00 56.01 56.70 1cic n LEU 78 Cb 0.53 -1.21 -0.13 0.00 -2.33 0.00 0.00 43.42 40.29 1cic n LEU 78 CO 0.49 -2.19 -0.55 -1.10 -1.33 0.00 0.00 177.39 172.71 1cic s GLN 79 N -1.66 1.38 0.52 3.23 -1.52 -1.26 -1.53 119.66 118.82 1cic s GLN 79 Ca 0.62 -1.36 0.31 0.00 -1.95 0.00 0.00 55.36 52.99 1cic s GLN 79 Cb -0.64 -1.80 1.45 0.00 -0.22 0.00 0.00 33.01 31.80 1cic s GLN 79 CO 0.58 0.42 1.86 -1.00 -0.25 0.00 0.00 175.29 176.89 1cic h PRO 80 N 3.77 0.05 0.00 2.91 0.13 -1.95 0.27 132.00 137.19 1cic h PRO 80 Ca -0.49 -0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1cic h PRO 80 Cb 1.18 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 1cic h PRO 80 CO 0.41 0.04 -0.02 0.93 -0.23 0.00 0.00 178.00 179.12 1cic h GLU 81 N 0.06 0.00 0.00 0.86 3.07 -1.96 -3.19 114.58 113.42 1cic h GLU 81 Ca 0.48 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.34 1cic h GLU 81 Cb 1.81 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.72 1cic h GLU 81 CO -0.04 0.02 0.00 -0.25 -1.40 0.00 0.00 179.01 177.35 1cic n ASP 82 N -3.28 0.00 -4.81 1.42 8.00 0.95 -4.86 116.55 113.97 1cic n ASP 82 Ca -0.02 -1.16 -0.31 0.00 0.71 0.00 0.00 54.79 54.01 1cic n ASP 82 Cb 0.15 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.30 1cic n ASP 82 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1cic s PHE 83 N -2.00 2.99 -3.50 1.24 -0.71 -1.21 -4.90 117.98 109.90 1cic s PHE 83 Ca 0.04 1.46 0.00 0.00 -1.04 0.00 0.00 56.93 57.39 1cic s PHE 83 Cb 0.02 -2.94 0.00 0.00 -1.21 0.00 0.00 43.02 38.89 1cic s PHE 83 CO 0.03 -1.31 0.00 0.41 -1.34 0.00 0.00 175.22 173.00 1cic n GLY 84 N -1.63 0.79 3.77 1.99 0.00 -0.89 -4.77 105.19 104.44 1cic n GLY 84 Ca 0.08 -2.02 -0.23 0.00 0.00 0.00 0.00 46.02 43.85 1cic n GLY 84 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1cic s SER 85 N -4.00 5.23 0.01 1.61 0.01 -0.73 -0.54 113.70 115.28 1cic s SER 85 Ca 0.00 -0.36 0.03 0.00 1.31 0.00 0.00 55.95 56.93 1cic s SER 85 Cb 0.00 -1.24 -0.01 0.00 0.21 0.00 0.00 66.02 64.98 1cic s SER 85 CO 0.00 -0.01 -0.08 -0.31 0.41 0.00 0.00 173.24 173.24 1cic s TYR 86 N -2.14 0.74 0.02 2.43 1.51 -0.82 -0.09 117.35 119.00 1cic s TYR 86 Ca 0.32 -0.22 0.01 0.00 -1.01 0.00 0.00 57.07 56.17 1cic s TYR 86 Cb -0.08 -0.47 -0.02 0.00 -0.11 0.00 0.00 41.96 41.29 1cic s TYR 86 CO 0.23 -0.02 -0.05 0.71 -1.11 0.00 0.00 175.55 175.32 1cic s TYR 87 N -0.48 0.41 0.22 2.71 2.02 -0.39 -2.09 117.35 119.74 1cic s TYR 87 Ca 0.00 -0.40 0.08 0.00 -0.37 0.00 0.00 57.07 56.38 1cic s TYR 87 Cb -0.05 -0.26 -0.04 0.00 -0.40 0.00 0.00 41.96 41.21 1cic s TYR 87 CO 0.00 -0.11 0.02 0.00 -1.57 0.00 0.00 175.55 173.90 1cic s GLN 89 N -3.35 0.32 0.31 0.00 0.74 -0.41 -0.41 119.66 116.86 1cic s GLN 89 Ca 0.30 0.62 -0.08 0.00 0.05 0.00 0.00 55.36 56.24 1cic s GLN 89 Cb -0.08 -0.01 -0.06 0.00 1.10 0.00 0.00 33.01 33.96 1cic s GLN 89 CO 0.20 -0.13 0.62 -3.38 -0.55 0.00 0.00 175.29 172.05 1cic s HIS 90 N 1.07 3.46 -0.02 1.67 -3.43 -0.80 -0.39 115.29 116.84 1cic s HIS 90 Ca -0.07 0.84 0.03 0.00 -0.80 0.00 0.00 55.06 55.06 1cic s HIS 90 Cb -0.08 -2.26 0.05 0.00 -1.43 0.00 0.00 32.58 28.86 1cic s HIS 90 CO -0.08 0.12 0.90 1.19 -2.00 0.00 0.00 174.74 174.86 1cic n PHE 91 N -0.81 0.00 -0.01 0.38 3.72 -0.64 -4.23 117.46 115.88 1cic n PHE 91 Ca 0.00 -0.41 -0.12 0.00 -0.05 0.00 0.00 57.45 56.86 1cic n PHE 91 Cb 0.53 -0.05 -0.10 0.00 -0.94 0.00 0.00 39.48 38.92 1cic n PHE 91 CO 0.00 0.00 0.00 2.35 -0.05 0.00 0.00 176.76 179.06 1cic h TRP 92 N 0.00 -0.06 -2.53 1.38 7.01 -1.82 -3.48 115.95 116.45 1cic h TRP 92 Ca 0.00 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 1cic h TRP 92 Cb 0.79 0.02 0.00 0.00 -2.10 0.00 0.00 29.16 27.87 1cic h TRP 92 CO 0.01 0.53 0.00 -1.13 -2.79 0.00 0.00 178.44 175.06 1cic n SER 93 N -4.81 0.74 -4.36 2.65 3.41 -1.26 -5.13 113.62 104.85 1cic n SER 93 Ca -0.09 -0.79 -0.31 0.00 -0.26 0.00 0.00 58.87 57.42 1cic n SER 93 Cb 0.31 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.11 1cic n SER 93 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1cic s THR 94 N -1.35 2.33 0.45 6.66 -4.23 -1.26 -3.86 115.64 114.38 1cic s THR 94 Ca 0.00 -1.15 -0.23 0.00 -1.18 0.00 0.00 61.69 59.13 1cic s THR 94 Cb 0.00 -1.88 -0.08 0.00 1.34 0.00 0.00 72.50 71.88 1cic s THR 94 CO 0.00 0.48 1.11 -2.84 -0.54 0.00 0.00 174.62 172.83 1cic s PRO 95 N -0.94 3.85 0.75 3.99 0.02 -1.26 -4.88 135.00 136.53 1cic s PRO 95 Ca 0.11 1.63 -0.11 0.00 0.02 0.00 0.00 61.00 62.65 1cic s PRO 95 Cb -0.10 -2.38 0.04 0.00 0.02 0.00 0.00 34.50 32.08 1cic s PRO 95 CO 0.01 -0.44 1.09 1.03 -0.33 0.00 0.00 177.00 178.36 1cic s ARG 96 N -2.75 2.51 -0.15 5.54 3.00 -1.25 -4.57 118.95 121.28 1cic s ARG 96 Ca 0.63 0.64 -0.13 0.00 0.00 0.00 0.00 55.73 56.87 1cic s ARG 96 Cb -0.25 -1.97 0.04 0.00 0.00 0.00 0.00 34.95 32.78 1cic s ARG 96 CO 0.30 -1.32 0.39 0.99 0.00 0.00 0.00 175.30 175.66 1cic s THR 97 N -3.20 -0.00 -0.03 0.02 2.01 -1.26 -5.03 115.64 108.15 1cic s THR 97 Ca 0.59 0.01 -0.01 0.00 0.31 0.00 0.00 61.69 62.60 1cic s THR 97 Cb -0.13 -0.55 -0.04 0.00 0.01 0.00 0.00 72.50 71.79 1cic s THR 97 CO 0.54 0.01 0.06 -0.36 -0.69 0.00 0.00 174.62 174.17 1cic s PHE 98 N 0.36 3.25 0.91 4.92 0.08 -1.26 -1.91 117.98 124.33 1cic s PHE 98 Ca -0.01 0.20 -0.13 0.00 0.12 0.00 0.00 56.93 57.11 1cic s PHE 98 Cb -0.04 -1.75 0.14 0.00 -0.57 0.00 0.00 43.02 40.80 1cic s PHE 98 CO -0.01 0.53 1.15 0.20 -0.10 0.00 0.00 175.22 176.99 1cic s GLY 99 N -1.51 1.59 0.47 4.36 0.00 0.45 -4.65 107.32 108.03 1cic s GLY 99 Ca 0.20 -0.59 0.32 0.00 0.00 0.00 0.00 44.72 44.65 1cic s GLY 99 CO 0.11 -0.02 1.95 -1.33 0.00 0.00 0.00 173.10 173.81 1cic h GLY 100 N -1.47 0.00 0.00 0.20 0.00 -1.86 -3.43 103.07 96.51 1cic h GLY 100 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1cic h GLY 100 CO 0.61 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.76 1cic n GLY 101 N -0.41 2.29 2.80 4.60 0.00 -1.26 -5.05 105.19 108.16 1cic n GLY 101 Ca -0.00 -1.89 -0.21 0.00 0.00 0.00 0.00 46.02 43.92 1cic n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cic s THR 102 N -2.92 0.35 -0.32 2.61 2.01 -0.89 -4.50 115.64 111.98 1cic s THR 102 Ca 0.00 0.08 -0.17 0.00 0.31 0.00 0.00 61.69 61.92 1cic s THR 102 Cb 0.00 -0.47 -0.02 0.00 0.01 0.00 0.00 72.50 72.02 1cic s THR 102 CO 0.00 0.23 0.44 -0.75 -0.69 0.00 0.00 174.62 173.85 1cic s LYS 103 N 1.60 3.73 -0.17 4.92 2.36 0.10 -1.95 119.74 130.32 1cic s LYS 103 Ca -0.01 -0.15 -0.05 0.00 -2.55 0.00 0.00 55.97 53.21 1cic s LYS 103 Cb -0.13 -3.76 -0.03 0.00 -1.05 0.00 0.00 37.83 32.86 1cic s LYS 103 CO -0.03 -0.50 -0.01 -1.17 1.55 0.00 0.00 175.35 175.19 1cic s LEU 104 N 2.21 3.37 -0.01 5.43 2.96 0.29 -0.69 118.68 132.25 1cic s LEU 104 Ca 0.16 -0.10 0.08 0.00 -0.22 0.00 0.00 54.13 54.04 1cic s LEU 104 Cb -0.16 -1.83 -0.02 0.00 0.50 0.00 0.00 46.19 44.68 1cic s LEU 104 CO 0.12 0.14 -0.24 -0.70 -1.32 0.00 0.00 176.35 174.34 1cic s GLU 105 N 0.54 1.93 0.01 1.98 2.12 0.10 -2.11 118.70 123.27 1cic s GLU 105 Ca -0.01 -0.90 -0.17 0.00 0.36 0.00 0.00 54.97 54.24 1cic s GLU 105 Cb -0.14 -1.90 -0.06 0.00 0.26 0.00 0.00 34.13 32.29 1cic s GLU 105 CO 0.02 0.52 0.49 -0.51 -0.54 0.00 0.00 175.26 175.24 1cic s LEU 106 N -0.68 4.46 0.39 2.70 2.01 -1.26 -1.39 118.68 124.91 1cic s LEU 106 Ca 0.10 1.06 -0.11 0.00 0.01 0.00 0.00 54.13 55.18 1cic s LEU 106 Cb -0.09 -2.73 -0.07 0.00 0.01 0.00 0.00 46.19 43.30 1cic s LEU 106 CO -0.00 0.25 0.76 -0.54 1.01 0.00 0.00 176.35 177.82 1cic s LYS 107 N -0.78 3.82 0.31 1.70 1.02 0.14 -4.84 119.74 121.11 1cic s LYS 107 Ca 0.26 0.50 -0.16 0.00 0.02 0.00 0.00 55.97 56.59 1cic s LYS 107 Cb -0.18 -2.40 0.03 0.00 -0.52 0.00 0.00 37.83 34.76 1cic s LYS 107 CO 0.15 0.00 0.68 -0.98 -0.92 0.00 0.00 175.35 174.28 1cic s ARG 108 N -3.68 1.90 0.69 1.68 1.70 -1.26 -4.47 118.95 115.51 1cic s ARG 108 Ca 0.52 -1.25 -0.15 0.00 -0.47 0.00 0.00 55.73 54.37 1cic s ARG 108 Cb -0.10 0.58 0.02 0.00 -0.57 0.00 0.00 34.95 34.87 1cic s ARG 108 CO 0.29 -0.86 1.18 0.00 -1.08 0.00 0.00 175.30 174.82 1cic s ALA 109 N -3.35 2.27 0.61 7.88 0.00 -1.26 -4.94 121.76 122.98 1cic s ALA 109 Ca 0.16 0.79 -0.18 0.00 0.00 0.00 0.00 51.96 52.73 1cic s ALA 109 Cb -0.04 -3.42 -0.02 0.00 0.00 0.00 0.00 23.12 19.63 1cic s ALA 109 CO 0.10 -1.61 1.22 -0.51 0.00 0.00 0.00 175.76 174.95 1cic s ASP 110 N -2.16 5.02 -0.14 0.00 1.01 -1.26 -4.76 116.67 114.39 1cic s ASP 110 Ca 0.72 2.40 -0.14 0.00 0.71 0.00 0.00 52.55 56.25 1cic s ASP 110 Cb -0.26 -2.60 0.04 0.00 1.01 0.00 0.00 42.92 41.10 1cic s ASP 110 CO 0.43 -1.71 0.39 0.00 0.21 0.00 0.00 175.17 174.49 1cic s ALA 111 N -1.63 -0.96 0.11 5.23 0.00 0.04 -4.91 121.76 119.65 1cic s ALA 111 Ca 0.78 1.09 -0.09 0.00 0.00 0.00 0.00 51.96 53.73 1cic s ALA 111 Cb -0.31 -0.63 -0.06 0.00 0.00 0.00 0.00 23.12 22.12 1cic s ALA 111 CO 0.35 -0.18 0.42 0.00 0.00 0.00 0.00 175.76 176.35 1cic s ALA 112 N 0.19 3.71 0.85 0.00 0.00 -1.26 -1.32 121.76 123.92 1cic s ALA 112 Ca -0.00 -0.39 -0.11 0.00 0.00 0.00 0.00 51.96 51.46 1cic s ALA 112 Cb -0.03 -2.28 0.11 0.00 0.00 0.00 0.00 23.12 20.92 1cic s ALA 112 CO 0.01 0.57 1.16 -1.25 0.00 0.00 0.00 175.76 176.25 1cic s PRO 113 N -2.14 1.48 -0.28 0.00 0.04 -1.26 -4.53 135.00 128.31 1cic s PRO 113 Ca 0.36 1.57 -0.03 0.00 0.04 0.00 0.00 61.00 62.94 1cic s PRO 113 Cb -0.13 -1.78 0.03 0.00 0.04 0.00 0.00 34.50 32.66 1cic s PRO 113 CO 0.20 -2.29 -0.01 0.99 0.04 0.00 0.00 177.00 175.93 1cic s THR 114 N -2.49 3.16 0.22 1.26 2.01 -0.83 -4.89 115.64 114.08 1cic s THR 114 Ca 0.68 -1.09 -0.03 0.00 0.31 0.00 0.00 61.69 61.56 1cic s THR 114 Cb -0.24 -2.69 -0.05 0.00 0.01 0.00 0.00 72.50 69.53 1cic s THR 114 CO 0.54 0.05 0.44 -0.69 -0.69 0.00 0.00 174.62 174.28 1cic s VAL 115 N 1.34 5.13 -0.10 3.82 1.01 -1.26 -2.44 120.40 127.90 1cic s VAL 115 Ca -0.01 -0.14 -0.04 0.00 0.00 0.00 0.00 61.98 61.78 1cic s VAL 115 Cb -0.18 -3.71 0.05 0.00 0.00 0.00 0.00 36.38 32.54 1cic s VAL 115 CO -0.02 -0.18 0.21 -0.44 0.00 0.00 0.00 175.10 174.68 1cic s SER 116 N -3.02 -0.04 -0.09 3.32 0.01 -0.30 -4.97 113.70 108.60 1cic s SER 116 Ca 0.41 0.46 0.01 0.00 1.31 0.00 0.00 55.95 58.13 1cic s SER 116 Cb -0.11 0.38 -0.02 0.00 0.21 0.00 0.00 66.02 66.47 1cic s SER 116 CO 0.28 -0.18 -0.10 -0.51 0.41 0.00 0.00 173.24 173.14 1cic s ILE 117 N 1.50 3.37 -0.07 1.44 2.07 -1.26 0.04 121.20 128.29 1cic s ILE 117 Ca -0.07 -0.58 0.04 0.00 -1.41 0.00 0.00 60.65 58.63 1cic s ILE 117 Cb -0.11 -2.39 0.00 0.00 0.13 0.00 0.00 42.46 40.09 1cic s ILE 117 CO -0.08 0.56 -0.20 -0.36 -1.91 0.00 0.00 174.94 172.96 1cic s PHE 118 N -0.27 2.06 0.50 3.50 0.08 0.14 -4.98 117.98 119.01 1cic s PHE 118 Ca 0.03 -0.73 -0.14 0.00 0.12 0.00 0.00 56.93 56.20 1cic s PHE 118 Cb -0.13 -1.40 -0.07 0.00 -0.57 0.00 0.00 43.02 40.85 1cic s PHE 118 CO 0.03 -0.29 0.93 -1.25 -0.10 0.00 0.00 175.22 174.54 1cic s PRO 119 N 0.26 3.86 0.39 0.24 0.04 -1.26 -2.53 135.00 135.99 1cic s PRO 119 Ca -0.12 0.79 -0.27 0.00 0.04 0.00 0.00 61.00 61.44 1cic s PRO 119 Cb -0.15 -2.20 -0.11 0.00 0.04 0.00 0.00 34.50 32.08 1cic s PRO 119 CO 0.05 -0.25 1.43 -2.30 0.04 0.00 0.00 177.00 175.98 1cic n PRO 120 N -1.67 2.47 -3.07 0.56 -0.02 -1.23 -4.87 135.00 127.16 1cic n PRO 120 Ca 0.05 0.87 -0.32 0.00 -2.02 0.00 0.00 63.50 62.08 1cic n PRO 120 Cb 0.54 -2.59 -0.05 0.00 -0.02 0.00 0.00 33.50 31.38 1cic n PRO 120 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1cic s SER 121 N -0.24 6.72 0.24 2.55 1.04 -1.26 -4.94 113.70 117.81 1cic s SER 121 Ca 0.55 1.25 -0.12 0.00 0.48 0.00 0.00 55.95 58.11 1cic s SER 121 Cb -0.49 -2.36 0.34 0.00 0.10 0.00 0.00 66.02 63.61 1cic s SER 121 CO 0.62 -0.25 1.58 0.77 0.98 0.00 0.00 173.24 176.94 1cic h SER 122 N 2.02 -0.90 -0.81 7.02 4.64 -1.98 -0.41 113.55 123.13 1cic h SER 122 Ca -0.48 0.26 0.19 0.00 -0.47 0.00 0.00 61.79 61.29 1cic h SER 122 Cb 1.18 0.56 -0.14 0.00 -0.31 0.00 0.00 62.40 63.68 1cic h SER 122 CO 0.65 -0.29 -0.02 -0.33 -0.87 0.00 0.00 176.83 175.98 1cic h GLU 123 N -0.02 0.07 -0.38 4.77 5.08 -1.98 0.13 114.58 122.26 1cic h GLU 123 Ca 0.39 -0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.59 1cic h GLU 123 Cb 0.62 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1cic h GLU 123 CO -0.88 0.05 -0.38 0.37 -1.00 0.00 0.00 179.01 177.17 1cic h GLN 124 N 0.08 0.91 -0.61 2.33 4.15 -1.36 -2.92 115.11 117.68 1cic h GLN 124 Ca 0.44 -0.47 0.09 0.00 0.77 0.00 0.00 58.65 59.49 1cic h GLN 124 Cb 0.80 0.01 -0.07 0.00 0.21 0.00 0.00 27.48 28.43 1cic h GLN 124 CO -0.74 1.13 0.23 -0.07 -1.93 0.00 0.00 178.83 177.45 1cic h LEU 125 N 0.74 0.23 -0.54 -2.39 -0.00 -0.46 0.23 115.31 113.13 1cic h LEU 125 Ca 0.06 0.08 0.04 0.00 -0.00 0.00 0.00 57.88 58.06 1cic h LEU 125 Cb 0.97 0.06 -0.04 0.00 -0.00 0.00 0.00 40.66 41.64 1cic h LEU 125 CO 0.09 0.14 0.29 0.74 -0.00 0.00 0.00 178.44 179.70 1cic h THR 126 N 0.41 0.99 0.00 0.22 2.02 -1.19 0.10 112.91 115.45 1cic h THR 126 Ca 0.31 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.30 1cic h THR 126 Cb 0.38 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.17 1cic h THR 126 CO -0.31 0.10 0.00 0.28 0.37 0.00 0.00 175.52 175.96 1cic h SER 127 N 0.57 0.00 0.00 4.18 0.02 -1.04 -3.45 113.55 113.83 1cic h SER 127 Ca 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1cic h SER 127 Cb 0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.64 1cic h SER 127 CO -0.14 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.16 1cic n GLY 128 N -0.35 0.84 3.60 -3.77 0.00 0.02 -5.04 105.19 100.50 1cic n GLY 128 Ca -0.00 -0.21 -0.26 0.00 0.00 0.00 0.00 46.02 45.55 1cic n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1cic s GLY 129 N -2.19 1.72 -0.36 -0.02 0.00 0.66 -1.64 107.32 105.49 1cic s GLY 129 Ca 0.00 -1.48 0.03 0.00 0.00 0.00 0.00 44.72 43.27 1cic s GLY 129 CO 0.00 -1.51 0.39 0.00 0.00 0.00 0.00 173.10 171.98 1cic s ALA 130 N -1.82 -0.61 -0.30 3.20 0.00 0.50 -2.66 121.76 120.07 1cic s ALA 130 Ca 0.27 -0.78 -0.09 0.00 0.00 0.00 0.00 51.96 51.35 1cic s ALA 130 Cb -0.08 -2.08 -0.01 0.00 0.00 0.00 0.00 23.12 20.94 1cic s ALA 130 CO 0.17 -2.09 0.14 -1.12 0.00 0.00 0.00 175.76 172.86 1cic s SER 131 N 1.60 5.53 -0.32 0.00 0.01 -1.26 0.10 113.70 119.36 1cic s SER 131 Ca 0.16 -0.42 -0.16 0.00 1.31 0.00 0.00 55.95 56.84 1cic s SER 131 Cb -0.14 -2.00 -0.02 0.00 0.21 0.00 0.00 66.02 64.07 1cic s SER 131 CO -0.08 -0.15 0.41 -0.69 0.41 0.00 0.00 173.24 173.14 1cic s VAL 132 N 1.63 5.13 -0.13 3.43 1.01 0.24 -3.58 120.40 128.13 1cic s VAL 132 Ca 0.05 0.31 -0.02 0.00 0.00 0.00 0.00 61.98 62.33 1cic s VAL 132 Cb -0.17 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 1cic s VAL 132 CO 0.06 -0.04 -0.08 -0.69 0.00 0.00 0.00 175.10 174.35 1cic s VAL 133 N 2.14 3.57 -0.10 2.92 1.01 -1.05 -0.14 120.40 128.75 1cic s VAL 133 Ca 0.15 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.65 1cic s VAL 133 Cb -0.16 -2.52 0.02 0.00 0.00 0.00 0.00 36.38 33.71 1cic s VAL 133 CO 0.11 0.52 -0.12 0.00 0.00 0.00 0.00 175.10 175.62 1cic s PHE 135 N 1.18 3.16 -0.42 0.00 0.08 0.11 -0.00 117.98 122.08 1cic s PHE 135 Ca -0.04 0.00 0.03 0.00 0.12 0.00 0.00 56.93 57.05 1cic s PHE 135 Cb -0.14 -1.94 0.11 0.00 -0.57 0.00 0.00 43.02 40.48 1cic s PHE 135 CO -0.03 0.21 0.15 -0.51 -0.10 0.00 0.00 175.22 174.94 1cic s LEU 136 N -0.08 4.20 -0.13 -0.37 1.02 -0.63 -1.16 118.68 121.53 1cic s LEU 136 Ca 0.04 -2.50 -0.06 0.00 0.02 0.00 0.00 54.13 51.63 1cic s LEU 136 Cb -0.13 -1.52 -0.04 0.00 0.02 0.00 0.00 46.19 44.53 1cic s LEU 136 CO 0.02 -0.31 0.10 0.20 0.02 0.00 0.00 176.35 176.38 1cic s ASN 137 N 0.44 6.05 -0.89 2.29 0.01 -1.02 -1.00 114.94 120.81 1cic s ASN 137 Ca 0.14 0.33 -0.02 0.00 -0.71 0.00 0.00 52.86 52.60 1cic s ASN 137 Cb -0.22 -1.94 -0.03 0.00 0.41 0.00 0.00 41.25 39.47 1cic s ASN 137 CO -0.05 0.35 0.76 0.59 -1.51 0.00 0.00 177.10 177.23 1cic n ASN 138 N 2.39 -3.69 -4.54 -1.22 4.13 0.09 -1.96 115.26 110.46 1cic n ASN 138 Ca -0.19 -0.52 -0.29 0.00 1.68 0.00 0.00 54.58 55.26 1cic n ASN 138 Cb 0.54 -4.19 -0.10 0.00 -1.54 0.00 0.00 39.78 34.48 1cic n ASN 138 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1cic s PHE 139 N -3.30 2.64 -0.04 3.10 -0.12 0.31 -4.52 117.98 116.06 1cic s PHE 139 Ca 0.17 -0.21 -0.02 0.00 -0.05 0.00 0.00 56.93 56.82 1cic s PHE 139 Cb -0.02 -1.39 0.02 0.00 -0.63 0.00 0.00 43.02 41.01 1cic s PHE 139 CO 0.58 0.41 0.09 -0.47 -0.05 0.00 0.00 175.22 175.78 1cic s TYR 140 N -1.21 -0.08 0.90 3.49 6.14 -0.44 -0.17 117.35 125.99 1cic s TYR 140 Ca 0.20 0.28 -0.14 0.00 0.64 0.00 0.00 57.07 58.05 1cic s TYR 140 Cb -0.11 -0.09 0.15 0.00 0.42 0.00 0.00 41.96 42.33 1cic s TYR 140 CO 0.12 -0.10 1.23 -1.25 0.64 0.00 0.00 175.55 176.20 1cic s PRO 141 N 0.73 1.19 0.50 4.97 0.04 -1.26 -0.78 135.00 140.39 1cic s PRO 141 Ca -0.06 -0.10 0.22 0.00 0.04 0.00 0.00 61.00 61.10 1cic s PRO 141 Cb -0.08 -1.88 1.29 0.00 0.04 0.00 0.00 34.50 33.87 1cic s PRO 141 CO -0.03 -2.09 1.99 -0.22 0.04 0.00 0.00 177.00 176.68 1cic h LYS 142 N -1.41 0.11 -6.20 4.56 3.64 -1.99 -3.42 116.57 111.86 1cic h LYS 142 Ca -0.46 -0.01 -0.56 0.00 -1.27 0.00 0.00 60.65 58.35 1cic h LYS 142 Cb 1.29 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 33.04 1cic h LYS 142 CO 0.52 0.07 0.74 -0.51 -2.27 0.00 0.00 179.45 178.01 1cic s ASP 143 N -6.21 7.09 0.02 4.20 1.01 -1.26 -5.00 116.67 116.53 1cic s ASP 143 Ca -0.06 1.59 -0.06 0.00 0.71 0.00 0.00 52.55 54.73 1cic s ASP 143 Cb 0.20 -2.55 -0.01 0.00 1.01 0.00 0.00 42.92 41.57 1cic s ASP 143 CO 0.74 -0.61 0.10 -0.51 0.21 0.00 0.00 175.17 175.10 1cic s ILE 144 N 2.71 0.11 0.04 0.77 2.07 -1.26 -4.44 121.20 121.20 1cic s ILE 144 Ca 0.50 -0.92 0.08 0.00 -1.41 0.00 0.00 60.65 58.90 1cic s ILE 144 Cb -0.20 -0.67 -0.03 0.00 0.13 0.00 0.00 42.46 41.70 1cic s ILE 144 CO 0.15 -0.51 -0.24 0.20 -1.91 0.00 0.00 174.94 172.63 1cic s ASN 145 N -1.79 2.83 -0.13 4.50 0.02 0.64 -4.94 114.94 116.06 1cic s ASN 145 Ca -0.10 -0.54 -0.02 0.00 -1.02 0.00 0.00 52.86 51.18 1cic s ASN 145 Cb -0.04 -0.26 0.04 0.00 0.02 0.00 0.00 41.25 41.01 1cic s ASN 145 CO -0.02 0.22 -0.00 -0.69 0.02 0.00 0.00 177.10 176.63 1cic s VAL 146 N -0.77 0.59 -0.12 1.60 1.01 -1.25 0.17 120.40 121.63 1cic s VAL 146 Ca 0.10 -0.27 -0.05 0.00 0.00 0.00 0.00 61.98 61.75 1cic s VAL 146 Cb -0.09 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.38 1cic s VAL 146 CO 0.02 0.08 0.07 -0.54 0.00 0.00 0.00 175.10 174.72 1cic s LYS 147 N 1.86 3.34 -0.20 2.72 3.01 -0.13 -4.94 119.74 125.40 1cic s LYS 147 Ca 0.02 -0.29 -0.06 0.00 -1.01 0.00 0.00 55.97 54.63 1cic s LYS 147 Cb -0.14 -3.02 -0.03 0.00 -1.01 0.00 0.00 37.83 33.62 1cic s LYS 147 CO -0.07 0.66 0.04 -1.58 0.51 0.00 0.00 175.35 174.91 1cic s TRP 148 N -0.72 3.13 -0.19 3.18 0.52 -1.26 -1.02 118.94 122.58 1cic s TRP 148 Ca 0.12 -0.21 0.01 0.00 0.02 0.00 0.00 56.10 56.05 1cic s TRP 148 Cb -0.12 -2.11 0.04 0.00 -1.15 0.00 0.00 33.47 30.13 1cic s TRP 148 CO 0.03 -0.09 -0.12 0.15 0.02 0.00 0.00 176.95 176.94 1cic s LYS 149 N 0.84 2.23 -0.32 4.98 1.02 0.22 0.18 119.74 128.89 1cic s LYS 149 Ca 0.02 -0.83 -0.07 0.00 0.02 0.00 0.00 55.97 55.11 1cic s LYS 149 Cb -0.14 -2.42 0.02 0.00 -0.52 0.00 0.00 37.83 34.77 1cic s LYS 149 CO 0.02 -0.38 0.11 0.42 -0.92 0.00 0.00 175.35 174.60 1cic s ILE 150 N 1.37 4.01 -1.45 2.17 1.01 0.73 0.26 121.20 129.30 1cic s ILE 150 Ca 0.00 -0.85 -0.04 0.00 0.00 0.00 0.00 60.65 59.76 1cic s ILE 150 Cb -0.15 -3.16 0.03 0.00 0.01 0.00 0.00 42.46 39.19 1cic s ILE 150 CO -0.09 -0.05 0.54 0.47 0.00 0.00 0.00 174.94 175.81 1cic n ASP 151 N 4.87 -1.15 0.00 3.58 8.00 0.14 -0.56 116.55 131.43 1cic n ASP 151 Ca -0.13 -0.97 0.00 0.00 0.71 0.00 0.00 54.79 54.39 1cic n ASP 151 Cb 0.47 -3.17 0.00 0.00 -0.02 0.00 0.00 41.12 38.39 1cic n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1cic n GLY 152 N -1.84 2.67 3.67 0.44 0.00 -1.26 -4.96 105.19 103.91 1cic n GLY 152 Ca -0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 1cic n GLY 152 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1cic s SER 153 N -0.85 7.04 0.09 1.61 0.01 0.27 -4.95 113.70 116.92 1cic s SER 153 Ca 0.00 1.29 -0.30 0.00 1.31 0.00 0.00 55.95 58.25 1cic s SER 153 Cb 0.00 -2.49 -0.06 0.00 0.21 0.00 0.00 66.02 63.68 1cic s SER 153 CO 0.00 -0.47 1.19 -0.70 0.41 0.00 0.00 173.24 173.67 1cic s GLU 154 N 2.36 4.45 0.08 12.44 -6.30 -1.26 -0.19 118.70 130.29 1cic s GLU 154 Ca 0.42 1.78 -0.02 0.00 -2.50 0.00 0.00 54.97 54.64 1cic s GLU 154 Cb -0.17 -3.33 -0.04 0.00 0.00 0.00 0.00 34.13 30.59 1cic s GLU 154 CO 0.12 -0.20 0.26 1.03 0.02 0.00 0.00 175.26 176.49 1cic s ARG 155 N 0.77 3.50 -0.21 4.30 1.81 0.13 -4.94 118.95 124.30 1cic s ARG 155 Ca 0.57 -0.32 0.22 0.00 -1.72 0.00 0.00 55.73 54.48 1cic s ARG 155 Cb -0.30 -2.99 0.47 0.00 -0.45 0.00 0.00 34.95 31.69 1cic s ARG 155 CO 0.31 0.57 1.15 0.94 -0.68 0.00 0.00 175.30 177.60 1cic n GLN 156 N 0.30 1.32 -3.84 3.54 -0.06 -1.26 -4.32 117.38 113.05 1cic n GLN 156 Ca -0.05 -2.97 -0.09 0.00 -2.00 0.00 0.00 57.00 51.89 1cic n GLN 156 Cb 0.51 -1.08 -0.04 0.00 -4.06 0.00 0.00 30.24 25.57 1cic n GLN 156 CO 0.00 0.00 0.00 1.21 -0.20 0.00 0.00 177.06 178.07 1cic s ASN 157 N -3.17 -0.19 -1.08 1.69 2.47 -1.26 -4.95 114.94 108.45 1cic s ASN 157 Ca 0.26 -0.65 -0.11 0.00 0.42 0.00 0.00 52.86 52.79 1cic s ASN 157 Cb 0.34 0.58 0.10 0.00 -1.45 0.00 0.00 41.25 40.82 1cic s ASN 157 CO -0.07 -1.09 0.36 0.61 -3.72 0.00 0.00 177.10 173.19 1cic n GLY 158 N -0.35 -0.46 3.29 1.21 0.00 -1.26 -4.84 105.19 102.78 1cic n GLY 158 Ca -0.07 0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 1cic n GLY 158 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cic s VAL 159 N -2.74 2.22 -0.05 1.61 0.11 -1.25 -0.72 120.40 119.58 1cic s VAL 159 Ca 0.41 -1.01 0.04 0.00 -2.93 0.00 0.00 61.98 58.50 1cic s VAL 159 Cb -0.23 -1.82 -0.00 0.00 -1.53 0.00 0.00 36.38 32.79 1cic s VAL 159 CO 0.50 0.57 -0.18 -0.76 -3.33 0.00 0.00 175.10 171.91 1cic s LEU 160 N -0.18 1.92 0.15 2.54 1.43 0.47 -4.95 118.68 120.06 1cic s LEU 160 Ca -0.03 -0.37 0.10 0.00 -1.03 0.00 0.00 54.13 52.80 1cic s LEU 160 Cb -0.14 -1.02 -0.04 0.00 0.03 0.00 0.00 46.19 45.03 1cic s LEU 160 CO 0.04 0.16 -0.23 -1.81 0.23 0.00 0.00 176.35 174.73 1cic s ASP 161 N 0.06 3.07 -0.26 2.29 1.01 -1.26 -0.32 116.67 121.26 1cic s ASP 161 Ca -0.05 -0.78 -0.12 0.00 0.71 0.00 0.00 52.55 52.31 1cic s ASP 161 Cb -0.12 -0.20 0.10 0.00 1.01 0.00 0.00 42.92 43.70 1cic s ASP 161 CO 0.03 0.10 0.60 -0.55 0.21 0.00 0.00 175.17 175.56 1cic s SER 162 N -2.29 -0.86 0.26 0.27 0.15 -0.95 -4.98 113.70 105.30 1cic s SER 162 Ca 0.14 1.38 0.05 0.00 0.70 0.00 0.00 55.95 58.23 1cic s SER 162 Cb -0.09 1.62 -0.02 0.00 -1.71 0.00 0.00 66.02 65.81 1cic s SER 162 CO 0.07 -0.23 0.39 0.26 1.20 0.00 0.00 173.24 174.93 1cic s TRP 163 N 2.17 3.37 0.26 3.44 0.51 -1.26 -1.56 118.94 125.88 1cic s TRP 163 Ca -0.07 -0.07 0.04 0.00 -2.12 0.00 0.00 56.10 53.88 1cic s TRP 163 Cb -0.09 -1.67 -0.03 0.00 -0.81 0.00 0.00 33.47 30.87 1cic s TRP 163 CO -0.18 0.33 0.40 0.99 -0.51 0.00 0.00 176.95 177.98 1cic s THR 164 N -2.03 5.23 0.86 2.01 2.01 -0.69 -4.98 115.64 118.05 1cic s THR 164 Ca 0.37 -0.86 -0.15 0.00 0.31 0.00 0.00 61.69 61.36 1cic s THR 164 Cb -0.09 -3.86 0.20 0.00 0.01 0.00 0.00 72.50 68.77 1cic s THR 164 CO 0.30 -0.37 1.06 -0.90 -0.69 0.00 0.00 174.62 174.01 1cic n ASP 165 N -1.46 -0.40 -4.78 3.53 5.75 -1.26 -4.67 116.55 113.26 1cic n ASP 165 Ca -0.08 -1.32 -0.35 0.00 -0.01 0.00 0.00 54.79 53.04 1cic n ASP 165 Cb 0.57 -0.84 -0.02 0.00 -1.03 0.00 0.00 41.12 39.80 1cic n ASP 165 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 1cic s GLN 166 N -5.33 3.67 -0.17 0.11 0.74 -1.26 -4.70 119.66 112.72 1cic s GLN 166 Ca 0.62 1.50 -0.26 0.00 0.05 0.00 0.00 55.36 57.27 1cic s GLN 166 Cb -0.03 -2.13 -0.01 0.00 1.10 0.00 0.00 33.01 31.94 1cic s GLN 166 CO 0.44 -0.57 0.88 0.34 -0.55 0.00 0.00 175.29 175.83 1cic s ASP 167 N -1.81 7.01 0.27 6.67 -1.08 -0.32 -4.91 116.67 122.50 1cic s ASP 167 Ca 0.68 1.24 -0.02 0.00 -0.52 0.00 0.00 52.55 53.94 1cic s ASP 167 Cb -0.21 -2.48 0.60 0.00 -1.46 0.00 0.00 42.92 39.38 1cic s ASP 167 CO 0.24 -0.43 1.64 0.77 0.52 0.00 0.00 175.17 177.91 1cic h SER 168 N 7.32 -0.15 0.00 -0.34 4.64 -1.91 0.42 113.55 123.53 1cic h SER 168 Ca -0.28 0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1cic h SER 168 Cb 1.13 0.30 0.00 0.00 -0.31 0.00 0.00 62.40 63.52 1cic h SER 168 CO 0.85 -0.17 0.00 0.29 -0.87 0.00 0.00 176.83 176.94 1cic n LYS 169 N -5.28 0.00 -0.11 4.77 4.76 -1.26 -4.52 118.16 116.52 1cic n LYS 169 Ca 0.18 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.65 1cic n LYS 169 Cb 0.60 -0.59 0.09 0.00 -1.84 0.00 0.00 35.03 33.29 1cic n LYS 169 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1cic n ASP 170 N -0.42 1.16 -2.18 4.39 5.68 -1.24 -4.93 116.55 119.00 1cic n ASP 170 Ca 0.00 -2.02 -0.14 0.00 -0.50 0.00 0.00 54.79 52.13 1cic n ASP 170 Cb 0.00 -0.17 -0.02 0.00 -1.14 0.00 0.00 41.12 39.79 1cic n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1cic n SER 171 N 0.08 -4.09 -4.93 -1.12 7.64 0.15 -4.95 113.62 106.41 1cic n SER 171 Ca 0.07 0.20 -0.26 0.00 1.01 0.00 0.00 58.87 59.90 1cic n SER 171 Cb 0.19 -3.53 0.02 0.00 -1.01 0.00 0.00 64.21 59.89 1cic n SER 171 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1cic s THR 172 N -2.56 3.89 0.34 0.44 2.01 -1.26 -4.53 115.64 113.98 1cic s THR 172 Ca 0.00 -0.13 0.09 0.00 0.31 0.00 0.00 61.69 61.96 1cic s THR 172 Cb 0.00 -3.50 -0.06 0.00 0.01 0.00 0.00 72.50 68.95 1cic s THR 172 CO 0.00 -0.47 -0.06 -0.31 -0.69 0.00 0.00 174.62 173.09 1cic s TYR 173 N -2.83 2.45 0.07 4.92 1.51 0.77 -1.18 117.35 123.06 1cic s TYR 173 Ca 0.51 -0.46 -0.05 0.00 -1.01 0.00 0.00 57.07 56.06 1cic s TYR 173 Cb -0.10 -1.39 -0.02 0.00 -0.11 0.00 0.00 41.96 40.33 1cic s TYR 173 CO 0.43 0.56 0.09 -1.12 -1.11 0.00 0.00 175.55 174.39 1cic s SER 174 N -3.64 0.29 0.08 2.29 0.01 -1.26 -0.53 113.70 110.94 1cic s SER 174 Ca 0.33 -0.80 -0.15 0.00 1.31 0.00 0.00 55.95 56.63 1cic s SER 174 Cb 0.01 0.27 0.03 0.00 0.21 0.00 0.00 66.02 66.54 1cic s SER 174 CO 0.17 -0.66 0.36 -0.32 0.41 0.00 0.00 173.24 173.20 1cic s MET 175 N -3.84 0.95 0.13 12.44 1.75 -0.17 -1.71 119.30 128.86 1cic s MET 175 Ca 0.05 -0.61 0.09 0.00 -1.25 0.00 0.00 55.69 53.97 1cic s MET 175 Cb 0.06 0.42 -0.04 0.00 2.84 0.00 0.00 34.83 38.11 1cic s MET 175 CO -0.10 -0.34 -0.21 -1.12 -0.65 0.00 0.00 175.02 172.60 1cic s SER 176 N -2.46 2.67 -0.03 1.11 0.01 -0.60 -1.60 113.70 112.80 1cic s SER 176 Ca -0.01 -0.75 -0.01 0.00 1.31 0.00 0.00 55.95 56.50 1cic s SER 176 Cb 0.01 -0.15 0.03 0.00 0.21 0.00 0.00 66.02 66.12 1cic s SER 176 CO -0.08 0.04 0.04 -0.55 0.41 0.00 0.00 173.24 173.10 1cic s SER 177 N -2.16 0.51 -0.12 2.44 0.15 1.00 -2.25 113.70 113.27 1cic s SER 177 Ca 0.10 0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.80 1cic s SER 177 Cb -0.09 -0.12 0.02 0.00 -1.71 0.00 0.00 66.02 64.12 1cic s SER 177 CO 0.05 -0.17 -0.12 -0.89 1.20 0.00 0.00 173.24 173.31 1cic s THR 178 N 1.47 1.35 -0.19 6.45 2.01 0.56 0.58 115.64 127.87 1cic s THR 178 Ca -0.04 -0.51 -0.05 0.00 0.31 0.00 0.00 61.69 61.40 1cic s THR 178 Cb -0.13 -1.29 -0.03 0.00 0.01 0.00 0.00 72.50 71.07 1cic s THR 178 CO -0.03 0.42 0.00 -0.22 -0.69 0.00 0.00 174.62 174.10 1cic s LEU 179 N 1.42 3.29 -0.10 4.42 2.96 0.80 -0.39 118.68 131.08 1cic s LEU 179 Ca 0.02 -0.18 0.02 0.00 -0.22 0.00 0.00 54.13 53.77 1cic s LEU 179 Cb -0.13 -1.83 -0.01 0.00 0.50 0.00 0.00 46.19 44.71 1cic s LEU 179 CO -0.07 0.08 -0.17 -0.89 -1.32 0.00 0.00 176.35 173.98 1cic s THR 180 N 0.90 2.75 0.36 3.68 2.01 0.10 0.81 115.64 126.25 1cic s THR 180 Ca 0.01 -0.79 0.03 0.00 0.31 0.00 0.00 61.69 61.25 1cic s THR 180 Cb -0.14 -2.11 -0.04 0.00 0.01 0.00 0.00 72.50 70.22 1cic s THR 180 CO 0.02 0.55 0.11 -0.76 -0.69 0.00 0.00 174.62 173.85 1cic s LEU 181 N 0.04 1.99 0.16 4.42 2.01 0.28 -4.75 118.68 122.82 1cic s LEU 181 Ca -0.06 -1.55 -0.11 0.00 0.01 0.00 0.00 54.13 52.42 1cic s LEU 181 Cb -0.15 -0.15 -0.07 0.00 0.01 0.00 0.00 46.19 45.83 1cic s LEU 181 CO 0.05 -0.81 0.50 0.42 1.01 0.00 0.00 176.35 177.52 1cic s THR 182 N -3.32 4.96 0.25 5.49 -4.23 -1.26 -0.37 115.64 117.16 1cic s THR 182 Ca 0.30 0.55 -0.10 0.00 -1.18 0.00 0.00 61.69 61.26 1cic s THR 182 Cb 0.05 -3.66 0.34 0.00 1.34 0.00 0.00 72.50 70.57 1cic s THR 182 CO 0.15 0.13 1.60 0.50 -0.54 0.00 0.00 174.62 176.45 1cic h LYS 183 N 3.18 0.01 -0.30 3.99 3.64 -1.51 -0.88 116.57 124.70 1cic h LYS 183 Ca -0.48 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.89 1cic h LYS 183 Cb 1.18 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.99 1cic h LYS 183 CO 0.68 0.01 0.14 0.38 -2.27 0.00 0.00 179.45 178.38 1cic h ASP 184 N 0.01 0.40 -0.84 4.20 2.03 -1.94 0.06 116.42 120.34 1cic h ASP 184 Ca 0.40 -0.13 0.11 0.00 -0.73 0.00 0.00 57.03 56.68 1cic h ASP 184 Cb 0.63 -0.10 -0.08 0.00 -0.83 0.00 0.00 39.33 38.95 1cic h ASP 184 CO -0.82 0.42 0.46 -0.08 -1.03 0.00 0.00 179.24 178.19 1cic h GLU 185 N 0.35 0.71 0.78 4.15 4.22 -1.60 -1.00 114.58 122.19 1cic h GLU 185 Ca 0.10 -0.04 -0.04 0.00 0.08 0.00 0.00 59.36 59.46 1cic h GLU 185 Cb 0.13 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 29.23 1cic h GLU 185 CO -0.01 0.47 -0.37 -0.92 -2.18 0.00 0.00 179.01 176.00 1cic h TYR 186 N 0.74 -0.97 0.00 0.92 3.20 -0.90 -3.01 116.97 116.94 1cic h TYR 186 Ca 0.42 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.27 1cic h TYR 186 Cb 0.47 0.32 0.00 0.00 1.54 0.00 0.00 36.73 39.06 1cic h TYR 186 CO -0.07 -0.59 0.01 0.93 -1.64 0.00 0.00 178.16 176.80 1cic h GLU 187 N -1.11 0.00 -0.06 1.82 4.39 -0.52 -1.75 114.58 117.34 1cic h GLU 187 Ca -0.11 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.59 1cic h GLU 187 Cb 0.82 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.47 1cic h GLU 187 CO 0.18 0.00 0.00 -2.13 -1.16 0.00 0.00 179.01 175.90 1cic n ARG 188 N -2.98 0.88 -4.00 2.33 0.63 -0.42 -4.87 116.66 108.23 1cic n ARG 188 Ca -0.03 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.78 1cic n ARG 188 Cb 0.07 -1.03 -0.02 0.00 0.45 0.00 0.00 32.46 31.93 1cic n ARG 188 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 1cic s HIS 189 N -1.93 0.73 0.00 -0.14 3.76 -0.66 -5.05 115.29 111.99 1cic s HIS 189 Ca 0.00 -1.10 0.00 0.00 -0.15 0.00 0.00 55.06 53.81 1cic s HIS 189 Cb 0.00 0.21 0.00 0.00 1.11 0.00 0.00 32.58 33.90 1cic s HIS 189 CO 0.00 -1.25 0.00 -1.71 -0.85 0.00 0.00 174.74 170.93 1cic n ASN 190 N -1.33 0.43 -4.70 1.40 2.85 -1.26 -4.81 115.26 107.84 1cic n ASN 190 Ca -0.02 0.00 -0.37 0.00 -0.11 0.00 0.00 54.58 54.08 1cic n ASN 190 Cb 0.61 0.01 -0.08 0.00 1.24 0.00 0.00 39.78 41.56 1cic n ASN 190 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1cic s SER 191 N -2.87 6.34 -0.13 1.20 1.04 -1.26 -1.54 113.70 116.49 1cic s SER 191 Ca 0.00 0.39 0.03 0.00 0.48 0.00 0.00 55.95 56.85 1cic s SER 191 Cb 0.00 -2.17 0.01 0.00 0.10 0.00 0.00 66.02 63.96 1cic s SER 191 CO 0.00 0.06 -0.22 -0.31 0.98 0.00 0.00 173.24 173.76 1cic s TYR 192 N 0.76 2.56 0.00 5.02 2.02 -0.29 0.26 117.35 127.68 1cic s TYR 192 Ca 0.14 -1.24 0.02 0.00 -0.37 0.00 0.00 57.07 55.62 1cic s TYR 192 Cb -0.13 -1.74 -0.01 0.00 -0.40 0.00 0.00 41.96 39.68 1cic s TYR 192 CO 0.04 -0.56 -0.05 0.99 -1.57 0.00 0.00 175.55 174.40 1cic s THR 193 N 0.74 0.40 -0.18 -0.71 2.01 0.73 -0.21 115.64 118.42 1cic s THR 193 Ca -0.09 -0.36 0.01 0.00 0.31 0.00 0.00 61.69 61.56 1cic s THR 193 Cb -0.16 -0.37 0.02 0.00 0.01 0.00 0.00 72.50 72.01 1cic s THR 193 CO 0.00 0.02 -0.19 0.00 -0.69 0.00 0.00 174.62 173.76 1cic s GLU 195 N 1.30 1.67 -0.11 0.00 2.02 -0.19 -0.58 118.70 122.82 1cic s GLU 195 Ca 0.04 -1.19 -0.26 0.00 0.02 0.00 0.00 54.97 53.58 1cic s GLU 195 Cb -0.13 -2.69 -0.02 0.00 0.10 0.00 0.00 34.13 31.38 1cic s GLU 195 CO -0.12 -0.67 0.85 0.00 0.02 0.00 0.00 175.26 175.34 1cic s ALA 196 N 1.28 3.40 -0.35 5.21 0.00 0.14 -0.95 121.76 130.49 1cic s ALA 196 Ca -0.03 0.20 -0.02 0.00 0.00 0.00 0.00 51.96 52.11 1cic s ALA 196 Cb -0.19 -3.21 0.08 0.00 0.00 0.00 0.00 23.12 19.79 1cic s ALA 196 CO -0.08 -0.44 0.09 0.99 0.00 0.00 0.00 175.76 176.32 1cic s THR 197 N 1.61 3.07 -0.01 0.00 2.01 0.45 0.11 115.64 122.88 1cic s THR 197 Ca 0.42 -1.72 0.03 0.00 0.31 0.00 0.00 61.69 60.73 1cic s THR 197 Cb -0.18 -2.94 -0.01 0.00 0.01 0.00 0.00 72.50 69.39 1cic s THR 197 CO 0.17 -0.38 -0.09 -2.28 -0.69 0.00 0.00 174.62 171.35 1cic s HIS 198 N 1.18 0.85 0.48 4.92 5.04 -1.26 0.23 115.29 126.73 1cic s HIS 198 Ca 0.01 -0.16 0.41 0.00 -1.54 0.00 0.00 55.06 53.78 1cic s HIS 198 Cb -0.21 -0.54 1.53 0.00 0.04 0.00 0.00 32.58 33.40 1cic s HIS 198 CO -0.03 -0.01 1.44 1.17 -2.34 0.00 0.00 174.74 174.97 1cic n LYS 199 N 2.83 -0.01 0.00 2.88 4.81 -1.26 -0.58 118.16 126.83 1cic n LYS 199 Ca -0.14 1.05 0.08 0.00 -0.87 0.00 0.00 58.31 58.44 1cic n LYS 199 Cb 0.57 -2.30 0.47 0.00 0.02 0.00 0.00 35.03 33.79 1cic n LYS 199 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1cic n THR 200 N -4.03 0.22 -3.62 3.15 -2.24 -1.26 -4.78 114.28 101.72 1cic n THR 200 Ca 0.40 0.05 -0.11 0.00 -2.27 0.00 0.00 64.05 62.12 1cic n THR 200 Cb 1.73 -0.78 -0.05 0.00 -2.10 0.00 0.00 70.33 69.13 1cic n THR 200 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1cic s SER 201 N -2.24 -0.28 -0.02 3.42 0.15 0.26 -5.01 113.70 109.97 1cic s SER 201 Ca 0.22 -0.21 0.21 0.00 0.70 0.00 0.00 55.95 56.87 1cic s SER 201 Cb 0.12 0.48 -0.30 0.00 -1.71 0.00 0.00 66.02 64.60 1cic s SER 201 CO 0.22 -0.82 0.60 1.07 1.20 0.00 0.00 173.24 175.51 1cic n THR 202 N -0.07 0.00 -4.22 6.45 5.66 -1.26 -4.63 114.28 116.21 1cic n THR 202 Ca -0.17 -0.34 -0.33 0.00 -3.05 0.00 0.00 64.05 60.16 1cic n THR 202 Cb 0.63 0.31 -0.16 0.00 -1.55 0.00 0.00 70.33 69.56 1cic n THR 202 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1cic s SER 203 N -4.00 3.10 0.21 1.09 0.01 -1.26 -5.10 113.70 107.74 1cic s SER 203 Ca -0.03 -0.63 -0.31 0.00 1.31 0.00 0.00 55.95 56.28 1cic s SER 203 Cb 0.14 -1.45 -0.15 0.00 0.21 0.00 0.00 66.02 64.77 1cic s SER 203 CO 0.88 0.01 1.13 -2.65 0.41 0.00 0.00 173.24 173.02 1cic n PRO 204 N 4.52 1.24 -2.64 12.44 -0.01 -1.26 -4.89 135.00 144.39 1cic n PRO 204 Ca -0.21 0.44 -0.42 0.00 -0.01 0.00 0.00 63.50 63.31 1cic n PRO 204 Cb 0.50 -1.90 -0.03 0.00 -0.01 0.00 0.00 33.50 32.06 1cic n PRO 204 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 175.50 175.91 1cic s ILE 205 N -0.41 3.95 0.05 4.25 1.09 0.12 -4.84 121.20 125.41 1cic s ILE 205 Ca 0.69 -0.11 -0.03 0.00 -1.10 0.00 0.00 60.65 60.10 1cic s ILE 205 Cb -0.80 -4.89 -0.05 0.00 -1.06 0.00 0.00 42.46 35.66 1cic s ILE 205 CO 0.54 -1.77 0.25 0.54 -0.10 0.00 0.00 174.94 174.40 1cic s VAL 206 N 5.05 5.33 -0.07 2.92 0.11 -1.26 0.25 120.40 132.73 1cic s VAL 206 Ca 0.34 -0.13 -0.03 0.00 -2.93 0.00 0.00 61.98 59.23 1cic s VAL 206 Cb -0.08 -3.60 0.04 0.00 -1.53 0.00 0.00 36.38 31.21 1cic s VAL 206 CO 0.07 0.20 0.14 -0.75 -3.33 0.00 0.00 175.10 171.44 1cic s LYS 207 N -2.27 0.07 0.20 1.54 2.47 0.25 -5.00 119.74 117.00 1cic s LYS 207 Ca 0.33 0.40 0.01 0.00 -1.56 0.00 0.00 55.97 55.15 1cic s LYS 207 Cb -0.13 -0.20 -0.05 0.00 -1.46 0.00 0.00 37.83 35.99 1cic s LYS 207 CO 0.23 -0.19 0.04 -1.12 0.16 0.00 0.00 175.35 174.47 1cic s SER 208 N 1.38 1.17 0.04 1.43 0.01 -1.26 -0.52 113.70 115.96 1cic s SER 208 Ca -0.07 -1.26 -0.13 0.00 1.31 0.00 0.00 55.95 55.81 1cic s SER 208 Cb -0.12 0.14 0.02 0.00 0.21 0.00 0.00 66.02 66.27 1cic s SER 208 CO -0.06 -0.64 0.28 0.72 0.41 0.00 0.00 173.24 173.96 1cic s PHE 209 N -3.71 -0.07 -0.20 2.43 -0.71 0.71 -4.98 117.98 111.45 1cic s PHE 209 Ca 0.29 -0.08 0.00 0.00 -1.04 0.00 0.00 56.93 56.10 1cic s PHE 209 Cb 0.07 0.07 0.02 0.00 -1.21 0.00 0.00 43.02 41.97 1cic s PHE 209 CO 0.08 -0.49 -0.15 -0.80 -1.34 0.00 0.00 175.22 172.51 1cic s ASN 210 N -2.09 3.58 0.42 1.98 -0.87 -1.26 -1.14 114.94 115.57 1cic s ASN 210 Ca -0.05 -0.70 0.00 0.00 -1.57 0.00 0.00 52.86 50.54 1cic s ASN 210 Cb -0.01 -1.55 0.00 0.00 -0.02 0.00 0.00 41.25 39.67 1cic s ASN 210 CO -0.04 -0.04 0.65 0.54 -2.57 0.00 0.00 177.10 175.65 1cic n ARG 211 N 4.64 0.02 -0.30 -0.60 1.74 -0.59 -1.07 116.66 120.50 1cic n ARG 211 Ca -0.19 0.61 0.06 0.00 -0.77 0.00 0.00 57.85 57.55 1cic n ARG 211 Cb 0.49 -1.71 0.08 0.00 -1.02 0.00 0.00 32.46 30.31 1cic n ARG 211 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1cic n ASN 212 N -1.78 1.36 -4.43 0.55 4.13 -1.26 -5.07 115.26 108.76 1cic n ASN 212 Ca 0.00 -2.66 -0.21 0.00 1.68 0.00 0.00 54.58 53.39 1cic n ASN 212 Cb 0.65 -0.34 -0.10 0.00 -1.54 0.00 0.00 39.78 38.45 1cic n ASN 212 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1cic s GLU 213 N -1.67 1.55 0.00 3.52 8.01 -0.23 -5.32 118.70 124.56 1cic s GLU 213 Ca 0.20 -1.80 0.00 0.00 0.01 0.00 0.00 54.97 53.38 1cic s GLU 213 Cb 0.18 -1.09 0.00 0.00 -4.31 0.00 0.00 34.13 28.91 1cic s GLU 213 CO 0.01 -0.00 0.31 0.00 0.01 0.00 0.00 175.26 175.59